SCHEMBL6742334

SCHEMBL6742334

NCCCC[C@@H](C(=O)O)N(C(=O)OCc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 3/20 0.46
▸ FOLH1 Q04609 4/20 0.41
▸ LTA4H P09960 1/20 0.39
▸ ITGB3 P05106 4/20 0.39
▸ ITGA2B P08514 4/20 0.39
▸ CPB2 Q96IY4 2/20 0.39
▸ ECE1 P42892 1/20 0.39
▸ CPB1 P15086 1/20 0.39
▸ ANPEP P15144 1/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7767627 0.83 FOLH1 (0.43) FOLH1ITGB3SLC1A3SLC1A1
SCHEMBL1491987 0.83 EPOR (0.51) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL7364031 0.83 CPA1 (0.44) ITGB3ITGA2B
SCHEMBL22804052 0.83 EPOR (0.51) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL3776750 0.83 EPOR (0.51) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL10432184 0.82 MC4R (0.47) EPOR
SCHEMBL8213617 0.82 EPOR (0.50) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL8213619 0.82 EPOR (0.50) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL1526185 0.81 EPOR (0.49) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL3222447 0.81 EPOR (0.52) EPORFOLH1LTA4HITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487475-A1 USE OF ENZYME INHIBITORS WITH AMINOPEPTIDASE N AND/OR DIPEPTIDYLPEPTIDASE IV ACTIVITIES AND PHARMACEUTICAL PREPARATIONS PRODUCED THEREFROM FOR THE THERAPY AND PREVENTION OF DERMATOLOGICAL DISEASES WITH SEBORRHOEIC HYPERPROLIFERATION AND ALTERED DIFFERENTIATION STATES Institut für Medizintechnologie Magdeburg GmbH IMTM. (DE) 2004-12-22 — — EP claimed
WO-2003077935-A1 USE OF ENZYME INHIBITORS WITH AMINOPEPTIDASE N AND/OR DIPEPTIDYLPEPTIDASE IV ACTIVITIES AND PHARMACEUTICAL PREPARATIONS PRODUCED THEREFROM FOR THE THERAPY AND PREVENTION OF DERMATOLOGICAL DISEASES WITH SEBORRHOEIC HYPERPROLIFERATION AND ALTERED DIFFERENTIATION STATES IMTM INSTITUT FÜR MEDIZINTECHNOLOGIE MAGDEBURG GMBH (DE) 2003-09-25 — — WO claimed
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